N-(4-bromophenyl)-2-[(6-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-[(6-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]acetamide
N-(4-bromophenyl)-2-[(6-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-7957 |
| Compound Name: | N-(4-bromophenyl)-2-[(6-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 395.23 |
| Molecular Formula: | C13 H11 Br N6 O2 S |
| Smiles: | CC1C(Nc2nnc(n2N=1)SCC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1248 |
| logD: | 2.1237 |
| logSw: | -2.8164 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.623 |
| InChI Key: | JGGLFBZTVANXIS-UHFFFAOYSA-N |